7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide

C23H22N6O2 — CID 22136751

IUPAC7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC(=O)N(Cc3ccc4ccc(/C(N)=N/[H])cc4c3)C2=O)cc1
InChIInChI=1S/C23H22N6O2/c24-21(25)17-5-1-14(2-6-17)11-28-13-20(30)29(23(28)31)12-15-3-4-16-7-8-18(22(26)27)10-19(16)9-15/h1-10H,11-13H2,(H3,24,25)(H3,26,27)
InChIKeySBTKZHAIKLUQJF-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.37
Rot. Bonds6

About 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide

7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide (PubChem CID 22136751) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
PubChem CID22136751
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC(=O)N(Cc3ccc4ccc(/C(N)=N/[H])cc4c3)C2=O)cc1
InChIInChI=1S/C23H22N6O2/c24-21(25)17-5-1-14(2-6-17)11-28-13-20(30)29(23(28)31)12-15-3-4-16-7-8-18(22(26)27)10-19(16)9-15/h1-10H,11-13H2,(H3,24,25)(H3,26,27)
InChIKeySBTKZHAIKLUQJF-UHFFFAOYSA-N
XLogP2.37
TPSA140.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide
CID 22136703
7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 10322788
ethyl 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-4-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate
CID 10168786
5-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]pentanoic acid
CID 22136742
7-[[4-methyl-3-[(2-nitrophenyl)methyl]-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136692
8-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]octanoic acid
CID 22136757
4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidamide
CID 22632344
7-[(2-hydroxyethylsulfonylamino)methyl]naphthalene-2-carboximidamide
CID 140980494
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
6-(3-carbamimidoylbenzoyl)oxy-1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 70088595
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide (CID 22136751) is 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc(CN2CC(=O)N(Cc3ccc4ccc(/C(N)=N/[H])cc4c3)C2=O)cc1.
What is the InChIKey of 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
The InChIKey is SBTKZHAIKLUQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-21(25)17-5-1-14(2-6-17)11-28-13-20(30)29(23(28)31)12-15-3-4-16-7-8-18(22(26)27)10-19(16)9-15/h1-10H,11-13H2,(H3,24,25)(H3,26,27).
What are the key properties of 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide has a molecular weight of 414.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 22136751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).